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The calculations were carried out by using MacroModel 7.5 software.
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The calculations were carried out by using MacroModel 7.5 software.
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35
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42149130802
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2O, two anionic guest molecules were incorporated simultaneously by host 17a, as confirmed by Job's plot (see the Supporting Information). The result suggests that electrostatic repulsion between incorporated anionic guest molecules is not operative under the high ionic strength conditions employed.
-
2O, two anionic guest molecules were incorporated simultaneously by host 17a, as confirmed by Job's plot (see the Supporting Information). The result suggests that electrostatic repulsion between incorporated anionic guest molecules is not operative under the high ionic strength conditions employed.
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37
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42149145156
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It is possible that the cyclophane oligomer folds around the incorporated guest so that two or more macrocycles are around the guest molecule
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It is possible that the cyclophane oligomer folds around the incorporated guest so that two or more macrocycles are around the guest molecule.
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38
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15444372028
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With regard to molecular recognition, TNS having both slenderness and hydrophobicity was found to be best suited to these cyclophane oligomers among the guests. A similar binding trend was also confirmed for the complexation of peptide cyclophanes. Murakami, Y, Hayashida, O, Ono, K, Hisaeda, Y. Pure Appl. Chem. 1993, 65, 2319-2324
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With regard to molecular recognition, TNS having both slenderness and hydrophobicity was found to be best suited to these cyclophane oligomers among the guests. A similar binding trend was also confirmed for the complexation of peptide cyclophanes. Murakami, Y.; Hayashida, O.; Ono, K.; Hisaeda, Y. Pure Appl. Chem. 1993, 65, 2319-2324.
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